5-Bromo-2-hydroxybenzonitrile
TL;DR: 5-Bromo-2-hydroxybenzonitrile (CAS 4513-73-9) is a chemical compound with molecular formula C7H4BrNO and molecular weight 196.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-hydroxybenzonitrile
Also Known As: 5-Bromo-2-hydroxybenzonitrile, 2-Hydroxy-5-bromobenzonitrile, 4-Bromo-2-cyanophenol, Benzonitrile, 5-bromo-2-hydroxy-, 5-bromosalicylnitrile
| Molecular Formula | C7H4BrNO |
|---|---|
| Molecular Weight | 196.95 g/mol |
| LogP | 2.02638 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.94763 |
| Heavy Atoms | 10 |
| Complexity | 290.14786 |
Chemical Identifiers
| CAS Number | 4513-73-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C#N)O |
Product Overview
5-Bromo-2-hydroxybenzonitrile (CAS 4513-73-9), with molecular formula C7H4BrNO and molecular weight 196.95 g/mol. IUPAC: 5-bromo-2-hydroxybenzonitrile.
Chemical Property Profile of 5-Bromo-2-hydroxybenzonitrile
Property Insights of 5-Bromo-2-hydroxybenzonitrile
The XLogP value of 2.02638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 5-Bromo-2-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-hydroxybenzonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-hydroxybenzonitrile?
The CAS number of 5-Bromo-2-hydroxybenzonitrile is 4513-73-9.
What is the molecular formula of 5-Bromo-2-hydroxybenzonitrile?
The molecular formula of 5-Bromo-2-hydroxybenzonitrile is C7H4BrNO.
What is the molecular weight of 5-Bromo-2-hydroxybenzonitrile?
The molecular weight of 5-Bromo-2-hydroxybenzonitrile is 196.95 g/mol.
Where can I buy 5-Bromo-2-hydroxybenzonitrile?
You can request a quote for 5-Bromo-2-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.